Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.71 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL692221 | 0.91 | RAPGEF4 (0.58) | ACHERAPGEF4ALDH1A1TRPA1ATM | |
| M-Xylene SCHEMBL6830915 | 0.85 | ACHE (0.75) | ACHEALDH1A1MAPK1CYP1A2CYP2A6 | |
| M-Xylene SCHEMBL891494 | 0.84 | ACHE (1.00) | ACHEALDH1A1MAPK1CYP1A2CYP2A6 | |
| SCHEMBL5494561 | 0.84 | TRPA1 (0.61) | ACHERAPGEF4ALDH1A1TRPA1ATM | |
| SCHEMBL40704 | 0.84 | — | — | |
| M-Xylene SCHEMBL28189 | 0.84 | — | — | |
| M-Xylene SCHEMBL6397624 | 0.84 | — | — | |
| SCHEMBL323096 | 0.83 | RAPGEF4 (0.52) | ACHERAPGEF4ALDH1A1MAPK1TRPA1 | |
| Toluene SCHEMBL337110 | 0.82 | ACHE (0.65) | ACHERAPGEF4ALDH1A1TRPA1ATM | |
| P-Xylene SCHEMBL1959829 | 0.81 | ACHE (0.53) | ACHERAPGEF4ALDH1A1TRPA1ATM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080091043-A1 | PROCESS FOR PREPARING AN ORGANIC ACID OR ITS DERIVATIVES USING A HOMOGENEOUS MC-TYPE CATALYST AND AN O2/CO2 MIXTURE | KOCAT INC. (KR) | 2008-04-17 | — | — | US | disclosed |
| EP-1911737-A1 | Process for preparing an organic acid or its derivatives using a homogeneous MC-Type catalyst an O2/CO2 mixture | Kocat Inc. (KR) | 2008-04-16 | — | — | EP | disclosed |